RefChem:1056540
(E)-but-2-enedioic acid;2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
Also Known As: VUFB13.753|10-(4-(2-Hydroxyethyl)piperazino)-2-methyl-10,11-dihydrodibenzo(b,f)thiepin maleate|1-Piperazineethanol, 4-(10,11-dihydro-2-methyldibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt)|(E)-but-2-enedioic acid; 2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
CAS: 73129-63-2
| Molecular Formula | C25H30N2O5S |
|---|---|
| Molecular Weight | 470.18753 g/mol |
| LogP | 3.06512 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.18753 |
| Monoisotopic Mass | 470.18753 |
| Heavy Atoms | 33 |
| Complexity | 986.0418 |
Chemical Identifiers
| CAS Number | 73129-63-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC3=CC=CC=C3C(C2)N4CCN(CC4)CCO.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056540 (CAS 73129-63-2), with molecular formula C25H30N2O5S and molecular weight 470.18753 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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